Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-
TL;DR: Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- (CAS 21081-74-3) is a chemical compound with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methylsulfonyl-4-nitrobenzene
Also Known As: 1-chloro-2-(methylsulfonyl)-4-nitrobenzene, 1-chloro-2-methanesulfonyl-4-nitrobenzene, 1-chloro-2-methylsulfonyl-4-nitrobenzene, Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-, 1-chloro-2- -4-nitrobenzene
| Molecular Formula | C7H6ClNO4S |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.97061 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 21081-74-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| InChIKey | XYJJSLMPHYYITA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- (CAS 21081-74-3), with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol. IUPAC: 1-chloro-2-methylsulfonyl-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-
Property Insights of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-. Following Lipinski's Rule of Five, Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-?
The CAS number of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- is 21081-74-3.
What is the molecular formula of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-?
The molecular formula of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- is C7H6ClNO4S.
What is the molecular weight of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-?
The molecular weight of Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- is 234.97 g/mol.
Where can I buy Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-?
You can request a quote for Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.